(2S)-2-[azetidin-2-ylcarbonyl-(4-methylphenyl)sulfonyl-amino]-3-phenyl-propanoic acid

Systemtic Name: (2S)-2-[azetidin-2-ylcarbonyl-(4-methylphenyl)sulfonyl-amino]-3-phenyl-propanoic acid Openeye Name: (2S)-2-[azetidine-2-carbonyl(p-tolylsulfonyl)amino]-3-phenyl-propanoic acid CAS Name: (2S)-2-[[2-azetidinyl(oxo)methyl]-(4-methylphenyl)sulfonylamino]-3-phenylpropanoic acid IUPAC Name: (2S)-2-[azetidine-2-carbonyl-(4-methylphenyl)sulfonylamino]-3-phenylpropanoic acid Traditional Name: (2S)-2-[azetidine-2-carbonyl(tosyl)amino]-3-phenyl-propionic acid Formula: C20H22N2O5S MolecularWeight: 402.46408

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(C(CC2=CC=CC=C2)C(=O)O)C(=O)C3CCN3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N([C@@H](CC2=CC=CC=C2)C(=O)O)C(=O)C3CCN3

InChI

InChI=1S/C20H22N2O5S/c1-14-7-9-16(10-8-14)28(26,27)22(19(23)17-11-12-21-17)18(20(24)25)13-15-5-3-2-4-6-15/h2-10,17-18,21H,11-13H2,1H3,(H,24,25)/t17?,18-/m0/s1